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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'njamen' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of fluorescent estrogen ES2 from human recombinant ERbeta by fluorescence polarization assay


J Nat Prod 72: 1603-7 (2009)


Article DOI: 10.1021/np900271m
BindingDB Entry DOI: 10.7270/Q2D21XRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of fluorescent estrogen ES2 from human recombinant ERalpha by fluorescence polarization assay


J Nat Prod 72: 1603-7 (2009)


Article DOI: 10.1021/np900271m
BindingDB Entry DOI: 10.7270/Q2D21XRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50104694
PNG
((R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1O
Show InChI InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h22,24-25H,2-16H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213492
PNG
(2-[2',4'-dihydroxy-3'-(3-methylbut-2-enyl)phenyl]-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-c2cc3ccc(-[#8])cc3o2)c1-[#8]
Show InChI InChI=1S/C19H18O4/c1-11(2)3-6-14-16(21)8-7-15(19(14)22)18-9-12-4-5-13(20)10-17(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
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n/an/a 1.36E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212398
PNG
(CHEMBL229222 | sigmoidin F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2-[#8]C([#6])([#6])[#6]=[#6]-c2cc1-[#6@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |c:13|
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-16-17(9-14-7-8-25(3,4)31-24(14)23(16)29)20-12-19(28)22-18(27)10-15(26)11-21(22)30-20/h5,7-11,20,26-27,29H,6,12H2,1-4H3/t20-/m1/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212392
PNG
(CHEMBL229506 | sigmoidin A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#8]
Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241807
PNG
(CHEMBL470865 | abyssinone-VI-4-O-methyl ether)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H30O4/c1-17(2)6-9-20-14-19(15-21(26(20)30-5)10-7-18(3)4)8-13-24(28)23-12-11-22(27)16-25(23)29/h6-8,11-16,27,29H,9-10H2,1-5H3/b13-8+
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n/an/a 1.48E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213493
PNG
(2-(2'-methoxy-4'-hydroxyphenyl)-5-(3-methylbut-2-e...)
Show SMILES [#6]-[#8]-c1cc(-[#8])ccc1-c1cc2cc(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])cc2o1
Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-14-9-20(24-18(14)11-17(13)22)16-7-6-15(21)10-19(16)23-3/h4,6-11,21-22H,5H2,1-3H3
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n/an/a 1.57E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212393
PNG
(CHEMBL229220 | abyssinoflavanone VII)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O6/c1-13(2)5-6-15-7-16(8-17(25(15)30)9-19(27)14(3)4)22-12-21(29)24-20(28)10-18(26)11-23(24)31-22/h5,7-8,10-11,19,22,26-28,30H,3,6,9,12H2,1-2,4H3/t19?,22-/m0/s1
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n/an/a 1.57E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241806
PNG
(CHEMBL470454 | abyssinone IV | abyssinone-IV)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-11-19(12-18(25(17)28)8-6-16(3)4)23-14-22(27)21-10-9-20(26)13-24(21)29-23/h5-6,9-13,23,26,28H,7-8,14H2,1-4H3/t23-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212400
PNG
(1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
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n/an/a 1.69E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212397
PNG
(CHEMBL388722 | abyssinin II)
Show SMILES [#6]-[#8]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C21H22O6/c1-11(2)4-5-12-6-13(7-19(26-3)21(12)25)17-10-16(24)20-15(23)8-14(22)9-18(20)27-17/h4,6-9,17,22-23,25H,5,10H2,1-3H3/t17-/m0/s1
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n/an/a 1.73E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213490
PNG
(2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)ph...)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-c1cc2ccc(-[#8])cc2o1
Show InChI InChI=1S/C20H20O4/c1-12(2)4-5-13-8-16(19(23-3)11-17(13)22)20-9-14-6-7-15(21)10-18(14)24-20/h4,6-11,21-22H,5H2,1-3H3
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n/an/a 1.75E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212390
PNG
(CHEMBL389736 | abyssinin I)
Show SMILES COc1cc(cc2C=CC(C)(C)Oc12)C1CC(=O)c2c(O)cc(O)cc2O1 |c:7|
Show InChI InChI=1S/C21H20O6/c1-21(2)5-4-11-6-12(7-18(25-3)20(11)27-21)16-10-15(24)19-14(23)8-13(22)9-17(19)26-16/h4-9,16,22-23H,10H2,1-3H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212389
PNG
(CHEMBL389650 | abyssinoflavanone VI)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2ccoc12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C22H20O5/c1-12(2)3-4-13-7-15(8-14-5-6-26-22(13)14)19-11-18(25)21-17(24)9-16(23)10-20(21)27-19/h3,5-10,19,23-24H,4,11H2,1-2H3/t19-/m0/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212391
PNG
(5-deoxyabyssinin II | CHEMBL229670)
Show SMILES [#6]-[#8]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(9-20(25-3)21(13)24)18-11-17(23)16-7-6-15(22)10-19(16)26-18/h4,6-10,18,22,24H,5,11H2,1-3H3/t18-/m0/s1
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n/an/a 1.92E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212399
PNG
(CHEMBL229454 | sigmoidin B)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50370984
PNG
(Abyssinone Vi | CHEMBL508727)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+
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n/an/a 2.06E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241797
PNG
(CHEMBL470452 | abyssinone-IV-4'-O-methyl ether)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O4/c1-16(2)6-8-18-12-20(13-19(26(18)29-5)9-7-17(3)4)24-15-23(28)22-11-10-21(27)14-25(22)30-24/h6-7,10-14,24,27H,8-9,15H2,1-5H3/t24-/m0/s1
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n/an/a 2.12E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241796
PNG
(4-methylabyssinone V | CHEMBL470249 | abyssinone-V...)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1
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n/an/a 2.63E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212401
PNG
(3'-prenylnaringenin | CHEMBL229671)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])cc2o1
Show InChI InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3
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n/an/a 2.67E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241819
PNG
(CHEMBL470655 | sigmoidin E)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc2-[#6]=[#6]C([#6])([#6])[#8]-c12)-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r,c:10|
Show InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-9-17(10-16-7-8-25(3,4)30-24(15)16)21-13-20(28)23-19(27)11-18(26)12-22(23)29-21/h5,7-12,21,26-27H,6,13H2,1-4H3/t21-/m0/s1
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n/an/a 3.92E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241416
PNG
((2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
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n/an/a 3.97E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50200542
PNG
(5-hydroxy-3-(4-hydroxy-phenyl)-8,8-dimethyl-8H-pyr...)
Show SMILES CC1(C)Oc2cc3occ(-c4ccc(O)cc4)c(=O)c3c(O)c2C=C1 |c:26|
Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-13-15(25-20)9-16-17(18(13)22)19(23)14(10-24-16)11-3-5-12(21)6-4-11/h3-10,21-22H,1-2H3
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n/an/a 4.15E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212396
PNG
(CHEMBL229617 | sigmoidin C)
Show SMILES CC1(C)Oc2c(O)cc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |c:12|
Show InChI InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(24)19(10)26-20)16-9-14(23)18-13(22)7-12(21)8-17(18)25-16/h3-8,16,21-22,24H,9H2,1-2H3/t16-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50212394
PNG
(2S-5,7-dihydroxy-2'',2''-dimethylpyrano[5'',6'':3'...)
Show SMILES CC1(C)Oc2ccc(cc2C=C1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |c:11|
Show InChI InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-9,17,21-22H,10H2,1-2H3/t17-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 70: 1039-42 (2007)


Article DOI: 10.1021/np060477+
BindingDB Entry DOI: 10.7270/Q2KH0P5K
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241582
PNG
((S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxyme...)
Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241820
PNG
(4'-hydroxy-5,7-dimethoxyisoflavone | CHEMBL445815)
Show SMILES COc1cc(OC)c2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C17H14O5/c1-20-12-7-14(21-2)16-15(8-12)22-9-13(17(16)19)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241408
PNG
((2S)-liquiritigenin | 7-HYDROXY-2-(4-HYDROXY-PHENY...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50241805
PNG
(7-hydroxy-4'-methoxy-3'-(3-hydroxy-3-methyl-trans-...)
Show SMILES [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(cc1\[#6]=[#6]\C([#6])([#6])[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])cc2-[#8]-1 |r|
Show InChI InChI=1S/C26H30O5/c1-16(2)6-7-17-12-19(13-18(25(17)30-5)10-11-26(3,4)29)23-15-22(28)21-9-8-20(27)14-24(21)31-23/h6,8-14,23,27,29H,7,15H2,1-5H3/b11-10+/t23-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213034
PNG
(1-(2,4-Dihydroxy-phenyl)-3-(4-methoxy-phenyl)-prop...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C16H14O4/c1-20-13-6-2-11(3-7-13)4-9-15(18)14-8-5-12(17)10-16(14)19/h2-10,17,19H,1H3/b9-4+
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50042944
PNG
((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+
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n/an/a>6.00E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B


J Nat Prod 69: 1572-6 (2006)


Article DOI: 10.1021/np0601861
BindingDB Entry DOI: 10.7270/Q2B8591J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213494
PNG
(8-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...)
Show SMILES CC1(C)Oc2c(ccc(O)c2C=C1)-c1cc2ccc(O)cc2o1 |c:12|
Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-13-15(21)6-5-14(18(13)23-19)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
PDB
MMDB

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PubMed
n/an/a 6.27E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213491
PNG
(6-(6-hydroxybenzofuran-2-yl)-2,2-dimethyl-2H-chrom...)
Show SMILES CC1(C)Oc2ccc(-c3cc4ccc(O)cc4o3)c(O)c2C=C1 |c:24|
Show InChI InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3
PDB
MMDB

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PubMed
n/an/a 6.49E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50213495
PNG
(3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol | CHE...)
Show SMILES COc1ccc2cc(oc2c1)-c1ccc(O)cc1OC
Show InChI InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 7.41E+4n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem Lett 17: 3868-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.005
BindingDB Entry DOI: 10.7270/Q29W0F6F
More data for this
Ligand-Target Pair